5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine

C14H24N4O — CID 124872866

IUPAC5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
SMILESCCc1nnc(N2CC[C@H](OC)C[C@@H]2C)nc1CC
InChIInChI=1S/C14H24N4O/c1-5-12-13(6-2)16-17-14(15-12)18-8-7-11(19-4)9-10(18)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLDGAPFVGXNHAEN-QWRGUYRKSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds4

About 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine

5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine (PubChem CID 124872866) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
PubChem CID124872866
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine
SMILESCCc1nnc(N2CC[C@H](OC)C[C@@H]2C)nc1CC
InChIInChI=1S/C14H24N4O/c1-5-12-13(6-2)16-17-14(15-12)18-8-7-11(19-4)9-10(18)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLDGAPFVGXNHAEN-QWRGUYRKSA-N
XLogP2.00
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine (CID 124872866) is 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine is CCc1nnc(N2CC[C@H](OC)C[C@@H]2C)nc1CC.
What is the InChIKey of 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine?
The InChIKey is LDGAPFVGXNHAEN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-12-13(6-2)16-17-14(15-12)18-8-7-11(19-4)9-10(18)3/h10-11H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine?
5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine has a molecular weight of 264.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 124872866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).